data_34185 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 6th KOW domain of human hSpt5 ; _BMRB_accession_number 34185 _BMRB_flat_file_name bmr34185.str _Entry_type original _Submission_date 2017-10-16 _Accession_date 2017-10-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hahn L. . . 2 Schweimer K. . . 3 Roesch P. . . 4 Woehrl B. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 661 "13C chemical shifts" 516 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-26 original BMRB . stop_ _Original_release_date 2018-10-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30076330 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zuber P. K. . 2 Hahn L. . . 3 Reinl A. . . 4 Schweimer K. . . 5 Knauer S. H. . 6 Gottesman M. E. . 7 Rosch P. . . 8 Wohrl B. M. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 8 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11660 _Page_last 11660 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Transcription elongation factor SPT5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13857.621 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GGYNPHTPGSGIEQNSSDWV TTDIQVKVRDTYLDTQVVGQ TGVIRSVTGGMCSVYLKDSE KVVSISSEHLEPITPTKNNK VKVILGEDREATGVLLSIDG EDGIVRMDLDEQLKILNLRF LGKLLEA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 TYR 4 ASN 5 PRO 6 HIS 7 THR 8 PRO 9 GLY 10 SER 11 GLY 12 ILE 13 GLU 14 GLN 15 ASN 16 SER 17 SER 18 ASP 19 TRP 20 VAL 21 THR 22 THR 23 ASP 24 ILE 25 GLN 26 VAL 27 LYS 28 VAL 29 ARG 30 ASP 31 THR 32 TYR 33 LEU 34 ASP 35 THR 36 GLN 37 VAL 38 VAL 39 GLY 40 GLN 41 THR 42 GLY 43 VAL 44 ILE 45 ARG 46 SER 47 VAL 48 THR 49 GLY 50 GLY 51 MET 52 CYS 53 SER 54 VAL 55 TYR 56 LEU 57 LYS 58 ASP 59 SER 60 GLU 61 LYS 62 VAL 63 VAL 64 SER 65 ILE 66 SER 67 SER 68 GLU 69 HIS 70 LEU 71 GLU 72 PRO 73 ILE 74 THR 75 PRO 76 THR 77 LYS 78 ASN 79 ASN 80 LYS 81 VAL 82 LYS 83 VAL 84 ILE 85 LEU 86 GLY 87 GLU 88 ASP 89 ARG 90 GLU 91 ALA 92 THR 93 GLY 94 VAL 95 LEU 96 LEU 97 SER 98 ILE 99 ASP 100 GLY 101 GLU 102 ASP 103 GLY 104 ILE 105 VAL 106 ARG 107 MET 108 ASP 109 LEU 110 ASP 111 GLU 112 GLN 113 LEU 114 LYS 115 ILE 116 LEU 117 ASN 118 LEU 119 ARG 120 PHE 121 LEU 122 GLY 123 LYS 124 LEU 125 LEU 126 GLU 127 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'SUPT5H, SPT5, SPT5H' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.44 mM [U-99% 13C; U-99% 15N] KOW6, 20 mM sodium phosphate, 20 mM sodium chloride, 0.5 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.44 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' DTT 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details cryoprobe save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 1000 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 40 . mM pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D C(CO)NH' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY C C 174.74 0.20 1 2 2 2 GLY H H 8.26 0.03 1 3 2 2 GLY HA2 H 3.92 0.03 2 4 2 2 GLY HA3 H 3.92 0.03 2 5 2 2 GLY C C 173.63 0.20 1 6 2 2 GLY CA C 45.36 0.20 1 7 2 2 GLY N N 108.73 0.20 1 8 3 3 TYR H H 8.16 0.03 1 9 3 3 TYR HA H 4.52 0.03 1 10 3 3 TYR HB2 H 2.94 0.03 2 11 3 3 TYR HB3 H 2.94 0.03 2 12 3 3 TYR HD1 H 7.07 0.03 1 13 3 3 TYR HD2 H 7.07 0.03 1 14 3 3 TYR HE1 H 6.78 0.03 1 15 3 3 TYR HE2 H 6.78 0.03 1 16 3 3 TYR C C 174.90 0.20 1 17 3 3 TYR CA C 57.90 0.20 1 18 3 3 TYR CB C 38.97 0.20 1 19 3 3 TYR CD1 C 133.27 0.20 1 20 3 3 TYR CE1 C 118.24 0.20 1 21 3 3 TYR N N 120.70 0.20 1 22 4 4 ASN H H 8.33 0.03 1 23 4 4 ASN CA C 50.49 0.20 1 24 4 4 ASN CB C 39.35 0.20 1 25 4 4 ASN N N 123.90 0.20 1 26 5 5 PRO HA H 4.27 0.03 1 27 5 5 PRO HB2 H 2.19 0.03 2 28 5 5 PRO HB3 H 2.19 0.03 2 29 5 5 PRO C C 176.60 0.20 1 30 5 5 PRO CA C 63.27 0.20 1 31 5 5 PRO CB C 32.15 0.20 1 32 5 5 PRO CG C 26.52 0.20 1 33 5 5 PRO CD C 50.72 0.20 1 34 6 6 HIS H H 8.29 0.03 1 35 6 6 HIS HA H 4.64 0.03 1 36 6 6 HIS HB2 H 3.16 0.03 2 37 6 6 HIS HB3 H 3.16 0.03 2 38 6 6 HIS HD2 H 7.12 0.03 1 39 6 6 HIS HE1 H 8.16 0.03 1 40 6 6 HIS C C 174.96 0.20 1 41 6 6 HIS CA C 55.84 0.20 1 42 6 6 HIS CB C 29.75 0.20 1 43 6 6 HIS N N 118.38 0.20 1 44 7 7 THR H H 8.01 0.03 1 45 7 7 THR CA C 59.74 0.20 1 46 7 7 THR CB C 69.75 0.20 1 47 7 7 THR N N 117.67 0.20 1 48 8 8 PRO HA H 4.41 0.03 1 49 8 8 PRO HB2 H 1.96 0.03 2 50 8 8 PRO HB3 H 2.33 0.03 2 51 8 8 PRO HG2 H 2.08 0.03 2 52 8 8 PRO HG3 H 2.00 0.03 2 53 8 8 PRO HD2 H 3.81 0.03 2 54 8 8 PRO HD3 H 3.70 0.03 2 55 8 8 PRO C C 177.58 0.20 1 56 8 8 PRO CA C 63.87 0.20 1 57 8 8 PRO CB C 32.26 0.20 1 58 8 8 PRO CG C 27.43 0.20 1 59 8 8 PRO CD C 51.11 0.20 1 60 9 9 GLY H H 8.60 0.03 1 61 9 9 GLY HA2 H 4.00 0.03 2 62 9 9 GLY HA3 H 4.00 0.03 2 63 9 9 GLY C C 174.39 0.20 1 64 9 9 GLY CA C 45.36 0.20 1 65 9 9 GLY N N 110.07 0.20 1 66 10 10 SER H H 8.21 0.03 1 67 10 10 SER HA H 4.46 0.03 1 68 10 10 SER HB2 H 3.91 0.03 2 69 10 10 SER HB3 H 3.91 0.03 2 70 10 10 SER C C 175.13 0.20 1 71 10 10 SER CA C 58.73 0.20 1 72 10 10 SER CB C 64.12 0.20 1 73 10 10 SER N N 115.47 0.20 1 74 11 11 GLY H H 8.54 0.03 1 75 11 11 GLY HA2 H 4.00 0.03 2 76 11 11 GLY HA3 H 4.00 0.03 2 77 11 11 GLY C C 174.14 0.20 1 78 11 11 GLY CA C 45.38 0.20 1 79 11 11 GLY N N 111.04 0.20 1 80 12 12 ILE H H 7.97 0.03 1 81 12 12 ILE HA H 4.20 0.03 1 82 12 12 ILE HB H 1.84 0.03 1 83 12 12 ILE HG12 H 1.16 0.03 2 84 12 12 ILE HG13 H 1.42 0.03 2 85 12 12 ILE HG2 H 0.88 0.03 1 86 12 12 ILE HD1 H 0.82 0.03 1 87 12 12 ILE C C 176.39 0.20 1 88 12 12 ILE CA C 61.36 0.20 1 89 12 12 ILE CB C 38.94 0.20 1 90 12 12 ILE CG1 C 27.43 0.20 1 91 12 12 ILE CG2 C 17.93 0.20 1 92 12 12 ILE CD1 C 13.12 0.20 1 93 12 12 ILE N N 119.60 0.20 1 94 13 13 GLU H H 8.58 0.03 1 95 13 13 GLU HA H 4.28 0.03 1 96 13 13 GLU HB2 H 1.95 0.03 2 97 13 13 GLU HB3 H 2.05 0.03 2 98 13 13 GLU HG2 H 2.28 0.03 2 99 13 13 GLU HG3 H 2.19 0.03 2 100 13 13 GLU C C 176.53 0.20 1 101 13 13 GLU CA C 56.78 0.20 1 102 13 13 GLU CB C 30.00 0.20 1 103 13 13 GLU CG C 36.29 0.20 1 104 13 13 GLU N N 124.76 0.20 1 105 14 14 GLN H H 8.44 0.03 1 106 14 14 GLN HA H 4.35 0.03 1 107 14 14 GLN HB2 H 1.97 0.03 2 108 14 14 GLN HB3 H 2.11 0.03 2 109 14 14 GLN HG2 H 2.34 0.03 2 110 14 14 GLN HG3 H 2.34 0.03 2 111 14 14 GLN C C 175.76 0.20 1 112 14 14 GLN CA C 56.10 0.20 1 113 14 14 GLN CB C 29.53 0.20 1 114 14 14 GLN CG C 33.39 0.20 1 115 14 14 GLN N N 121.56 0.20 1 116 15 15 ASN H H 8.57 0.03 1 117 15 15 ASN HA H 4.78 0.03 1 118 15 15 ASN HB2 H 2.87 0.03 2 119 15 15 ASN HB3 H 2.83 0.03 2 120 15 15 ASN C C 175.50 0.20 1 121 15 15 ASN CA C 53.31 0.20 1 122 15 15 ASN CB C 39.11 0.20 1 123 15 15 ASN N N 119.97 0.20 1 124 16 16 SER H H 8.39 0.03 1 125 16 16 SER HA H 4.51 0.03 1 126 16 16 SER HB2 H 3.90 0.03 2 127 16 16 SER HB3 H 4.00 0.03 2 128 16 16 SER C C 174.74 0.20 1 129 16 16 SER CA C 58.85 0.20 1 130 16 16 SER CB C 64.02 0.20 1 131 16 16 SER N N 116.63 0.20 1 132 17 17 SER H H 8.42 0.03 1 133 17 17 SER HA H 4.51 0.03 1 134 17 17 SER HB2 H 3.80 0.03 2 135 17 17 SER HB3 H 3.80 0.03 2 136 17 17 SER C C 174.50 0.20 1 137 17 17 SER CA C 58.19 0.20 1 138 17 17 SER CB C 63.83 0.20 1 139 17 17 SER N N 116.47 0.20 1 140 18 18 ASP H H 8.20 0.03 1 141 18 18 ASP HA H 4.41 0.03 1 142 18 18 ASP HB2 H 2.60 0.03 2 143 18 18 ASP HB3 H 2.67 0.03 2 144 18 18 ASP C C 175.15 0.20 1 145 18 18 ASP CA C 55.54 0.20 1 146 18 18 ASP CB C 40.48 0.20 1 147 18 18 ASP N N 122.46 0.20 1 148 19 19 TRP H H 7.32 0.03 1 149 19 19 TRP HA H 4.63 0.03 1 150 19 19 TRP HB2 H 3.49 0.03 2 151 19 19 TRP HB3 H 2.85 0.03 2 152 19 19 TRP HD1 H 7.57 0.03 1 153 19 19 TRP HE1 H 10.45 0.03 1 154 19 19 TRP HE3 H 6.74 0.03 1 155 19 19 TRP HZ2 H 7.63 0.03 1 156 19 19 TRP HZ3 H 7.31 0.03 1 157 19 19 TRP HH2 H 6.73 0.03 1 158 19 19 TRP CA C 55.27 0.20 1 159 19 19 TRP CB C 29.75 0.20 1 160 19 19 TRP CD1 C 128.02 0.20 1 161 19 19 TRP CZ2 C 115.46 0.20 1 162 19 19 TRP CZ3 C 121.39 0.20 1 163 19 19 TRP CH2 C 123.05 0.20 1 164 19 19 TRP N N 116.76 0.20 1 165 19 19 TRP NE1 N 131.37 0.20 1 166 20 20 VAL H H 6.13 0.03 1 167 20 20 VAL HA H 2.81 0.03 1 168 20 20 VAL HB H 1.43 0.03 1 169 20 20 VAL HG1 H 0.02 0.03 2 170 20 20 VAL HG2 H 0.02 0.03 2 171 20 20 VAL C C 175.60 0.20 1 172 20 20 VAL CA C 64.95 0.20 1 173 20 20 VAL CB C 31.31 0.20 1 174 20 20 VAL CG1 C 21.67 0.20 2 175 20 20 VAL CG2 C 19.68 0.20 2 176 20 20 VAL N N 116.52 0.20 1 177 21 21 THR H H 6.84 0.03 1 178 21 21 THR HA H 4.42 0.03 1 179 21 21 THR HB H 4.39 0.03 1 180 21 21 THR HG2 H 1.17 0.03 1 181 21 21 THR C C 171.71 0.20 1 182 21 21 THR CA C 58.74 0.20 1 183 21 21 THR CB C 67.32 0.20 1 184 21 21 THR CG2 C 20.32 0.20 1 185 21 21 THR N N 117.46 0.20 1 186 22 22 THR H H 7.70 0.03 1 187 22 22 THR HA H 3.82 0.03 1 188 22 22 THR HB H 4.17 0.03 1 189 22 22 THR HG2 H 1.12 0.03 1 190 22 22 THR C C 176.00 0.20 1 191 22 22 THR CA C 62.46 0.20 1 192 22 22 THR CB C 70.11 0.20 1 193 22 22 THR CG2 C 23.27 0.20 1 194 22 22 THR N N 109.64 0.20 1 195 23 23 ASP H H 9.06 0.03 1 196 23 23 ASP HA H 4.20 0.03 1 197 23 23 ASP HB2 H 3.08 0.03 2 198 23 23 ASP HB3 H 2.92 0.03 2 199 23 23 ASP C C 173.86 0.20 1 200 23 23 ASP CA C 57.33 0.20 1 201 23 23 ASP CB C 38.83 0.20 1 202 23 23 ASP N N 111.45 0.20 1 203 24 24 ILE H H 6.81 0.03 1 204 24 24 ILE HA H 5.21 0.03 1 205 24 24 ILE HB H 1.94 0.03 1 206 24 24 ILE HG12 H 1.57 0.03 2 207 24 24 ILE HG13 H 1.29 0.03 2 208 24 24 ILE HG2 H 0.80 0.03 1 209 24 24 ILE HD1 H 1.19 0.03 1 210 24 24 ILE CA C 58.98 0.20 1 211 24 24 ILE CB C 40.70 0.20 1 212 24 24 ILE CG1 C 24.70 0.20 1 213 24 24 ILE CG2 C 18.63 0.20 1 214 24 24 ILE CD1 C 15.34 0.20 1 215 24 24 ILE N N 107.53 0.20 1 216 25 25 GLN H H 8.57 0.03 1 217 25 25 GLN HA H 5.39 0.03 1 218 25 25 GLN HB2 H 2.29 0.03 2 219 25 25 GLN HB3 H 2.29 0.03 2 220 25 25 GLN HG2 H 2.17 0.03 2 221 25 25 GLN HG3 H 2.46 0.03 2 222 25 25 GLN HE21 H 7.31 0.03 1 223 25 25 GLN HE22 H 7.04 0.03 1 224 25 25 GLN C C 177.20 0.20 1 225 25 25 GLN CA C 55.67 0.20 1 226 25 25 GLN CB C 30.36 0.20 1 227 25 25 GLN CG C 35.39 0.20 1 228 25 25 GLN N N 119.75 0.20 1 229 25 25 GLN NE2 N 111.80 0.20 1 230 26 26 VAL H H 9.38 0.03 1 231 26 26 VAL HA H 5.34 0.03 1 232 26 26 VAL HB H 2.21 0.03 1 233 26 26 VAL HG1 H 0.70 0.03 2 234 26 26 VAL HG2 H 1.13 0.03 2 235 26 26 VAL C C 172.89 0.20 1 236 26 26 VAL CA C 58.69 0.20 1 237 26 26 VAL CB C 36.95 0.20 1 238 26 26 VAL CG1 C 18.30 0.20 2 239 26 26 VAL CG2 C 23.03 0.20 2 240 26 26 VAL N N 117.55 0.20 1 241 27 27 LYS H H 9.13 0.03 1 242 27 27 LYS HA H 5.20 0.03 1 243 27 27 LYS HB2 H 1.51 0.03 2 244 27 27 LYS HB3 H 1.62 0.03 2 245 27 27 LYS HG2 H 1.21 0.03 2 246 27 27 LYS HG3 H 1.21 0.03 2 247 27 27 LYS HD2 H 1.57 0.03 2 248 27 27 LYS HD3 H 1.57 0.03 2 249 27 27 LYS HE2 H 2.88 0.03 2 250 27 27 LYS HE3 H 2.88 0.03 2 251 27 27 LYS C C 175.65 0.20 1 252 27 27 LYS CA C 53.94 0.20 1 253 27 27 LYS CB C 36.44 0.20 1 254 27 27 LYS CG C 24.65 0.20 1 255 27 27 LYS CD C 29.30 0.20 1 256 27 27 LYS CE C 41.84 0.20 1 257 27 27 LYS N N 120.24 0.20 1 258 28 28 VAL H H 7.93 0.03 1 259 28 28 VAL HA H 4.29 0.03 1 260 28 28 VAL HB H 2.21 0.03 1 261 28 28 VAL HG1 H 0.96 0.03 2 262 28 28 VAL HG2 H 0.59 0.03 2 263 28 28 VAL C C 177.49 0.20 1 264 28 28 VAL CA C 63.18 0.20 1 265 28 28 VAL CB C 31.10 0.20 1 266 28 28 VAL CG1 C 21.87 0.20 2 267 28 28 VAL CG2 C 20.05 0.20 2 268 28 28 VAL N N 123.01 0.20 1 269 29 29 ARG H H 9.21 0.03 1 270 29 29 ARG HA H 4.31 0.03 1 271 29 29 ARG C C 176.24 0.20 1 272 29 29 ARG CA C 57.24 0.20 1 273 29 29 ARG CB C 33.67 0.20 1 274 29 29 ARG CG C 28.39 0.20 1 275 29 29 ARG CD C 43.71 0.20 1 276 29 29 ARG N N 130.00 0.20 1 277 30 30 ASP H H 8.58 0.03 1 278 30 30 ASP HA H 4.42 0.03 1 279 30 30 ASP HB2 H 2.96 0.03 2 280 30 30 ASP HB3 H 2.63 0.03 2 281 30 30 ASP C C 176.44 0.20 1 282 30 30 ASP CA C 55.67 0.20 1 283 30 30 ASP CB C 39.92 0.20 1 284 30 30 ASP N N 117.41 0.20 1 285 31 31 THR H H 7.10 0.03 1 286 31 31 THR HA H 4.62 0.03 1 287 31 31 THR HB H 4.10 0.03 1 288 31 31 THR HG2 H 1.31 0.03 1 289 31 31 THR C C 175.04 0.20 1 290 31 31 THR CA C 62.25 0.20 1 291 31 31 THR CB C 68.06 0.20 1 292 31 31 THR CG2 C 22.70 0.20 1 293 31 31 THR N N 107.82 0.20 1 294 32 32 TYR H H 7.66 0.03 1 295 32 32 TYR HA H 3.58 0.03 1 296 32 32 TYR HB2 H 2.71 0.03 2 297 32 32 TYR HB3 H 2.86 0.03 2 298 32 32 TYR HD1 H 6.85 0.03 1 299 32 32 TYR HD2 H 6.85 0.03 1 300 32 32 TYR HE1 H 6.91 0.03 1 301 32 32 TYR HE2 H 6.91 0.03 1 302 32 32 TYR CA C 58.24 0.20 1 303 32 32 TYR CB C 39.69 0.20 1 304 32 32 TYR CD1 C 132.55 0.20 1 305 32 32 TYR CE1 C 118.80 0.20 1 306 32 32 TYR N N 123.69 0.20 1 307 33 33 LEU H H 6.82 0.03 1 308 33 33 LEU HA H 3.83 0.03 1 309 33 33 LEU HB2 H 1.34 0.03 2 310 33 33 LEU HB3 H 1.52 0.03 2 311 33 33 LEU HG H 1.46 0.03 1 312 33 33 LEU HD1 H 0.73 0.03 2 313 33 33 LEU HD2 H 0.82 0.03 2 314 33 33 LEU CA C 57.30 0.20 1 315 33 33 LEU CB C 41.30 0.20 1 316 33 33 LEU CG C 26.70 0.20 1 317 33 33 LEU CD1 C 23.20 0.20 2 318 33 33 LEU CD2 C 25.00 0.20 2 319 33 33 LEU N N 121.00 0.20 1 320 34 34 ASP HA H 4.69 0.03 1 321 34 34 ASP HB2 H 2.97 0.03 2 322 34 34 ASP HB3 H 2.30 0.03 2 323 34 34 ASP C C 177.16 0.20 1 324 34 34 ASP CA C 53.07 0.20 1 325 34 34 ASP CB C 41.05 0.20 1 326 35 35 THR H H 8.34 0.03 1 327 35 35 THR HA H 3.93 0.03 1 328 35 35 THR HB H 4.33 0.03 1 329 35 35 THR HG2 H 1.36 0.03 1 330 35 35 THR C C 175.93 0.20 1 331 35 35 THR CA C 64.84 0.20 1 332 35 35 THR CB C 68.85 0.20 1 333 35 35 THR CG2 C 22.11 0.20 1 334 35 35 THR N N 119.05 0.20 1 335 36 36 GLN H H 8.46 0.03 1 336 36 36 GLN HA H 4.24 0.03 1 337 36 36 GLN HB2 H 2.17 0.03 2 338 36 36 GLN HB3 H 2.17 0.03 2 339 36 36 GLN HG2 H 2.36 0.03 2 340 36 36 GLN HG3 H 2.48 0.03 2 341 36 36 GLN C C 176.95 0.20 1 342 36 36 GLN CA C 57.69 0.20 1 343 36 36 GLN CB C 29.02 0.20 1 344 36 36 GLN CG C 34.71 0.20 1 345 36 36 GLN N N 118.78 0.20 1 346 37 37 VAL H H 7.52 0.03 1 347 37 37 VAL HA H 4.14 0.03 1 348 37 37 VAL HB H 2.17 0.03 1 349 37 37 VAL HG1 H 0.87 0.03 2 350 37 37 VAL C C 175.28 0.20 1 351 37 37 VAL CA C 62.28 0.20 1 352 37 37 VAL CB C 33.84 0.20 1 353 37 37 VAL CG1 C 22.61 0.20 2 354 37 37 VAL CG2 C 22.46 0.20 2 355 37 37 VAL N N 115.47 0.20 1 356 38 38 VAL H H 7.22 0.03 1 357 38 38 VAL HA H 3.26 0.03 1 358 38 38 VAL HB H 2.00 0.03 1 359 38 38 VAL HG1 H 0.94 0.03 2 360 38 38 VAL HG2 H 1.23 0.03 2 361 38 38 VAL C C 177.01 0.20 1 362 38 38 VAL CA C 65.66 0.20 1 363 38 38 VAL CB C 32.09 0.20 1 364 38 38 VAL CG1 C 21.91 0.20 2 365 38 38 VAL CG2 C 23.07 0.20 2 366 38 38 VAL N N 119.60 0.20 1 367 39 39 GLY H H 8.63 0.03 1 368 39 39 GLY HA2 H 4.36 0.03 2 369 39 39 GLY HA3 H 3.59 0.03 2 370 39 39 GLY CA C 45.11 0.20 1 371 39 39 GLY N N 114.81 0.20 1 372 40 40 GLN H H 7.97 0.03 1 373 40 40 GLN HA H 4.37 0.03 1 374 40 40 GLN HB2 H 2.09 0.03 2 375 40 40 GLN HB3 H 2.09 0.03 2 376 40 40 GLN HG2 H 2.46 0.03 2 377 40 40 GLN HG3 H 2.36 0.03 2 378 40 40 GLN C C 175.19 0.20 1 379 40 40 GLN CA C 56.87 0.20 1 380 40 40 GLN CB C 29.60 0.20 1 381 40 40 GLN CG C 35.35 0.20 1 382 40 40 GLN N N 119.34 0.20 1 383 41 41 THR H H 8.38 0.03 1 384 41 41 THR HA H 5.41 0.03 1 385 41 41 THR HB H 4.15 0.03 1 386 41 41 THR HG2 H 1.23 0.03 1 387 41 41 THR C C 174.82 0.20 1 388 41 41 THR CA C 60.70 0.20 1 389 41 41 THR CB C 70.92 0.20 1 390 41 41 THR CG2 C 21.99 0.20 1 391 41 41 THR N N 112.52 0.20 1 392 42 42 GLY H H 9.24 0.03 1 393 42 42 GLY HA2 H 4.94 0.03 2 394 42 42 GLY HA3 H 3.79 0.03 2 395 42 42 GLY C C 171.54 0.20 1 396 42 42 GLY CA C 45.64 0.20 1 397 42 42 GLY N N 110.48 0.20 1 398 43 43 VAL H H 8.65 0.03 1 399 43 43 VAL HA H 5.19 0.03 1 400 43 43 VAL HB H 1.99 0.03 1 401 43 43 VAL HG1 H 1.01 0.03 2 402 43 43 VAL HG2 H 1.01 0.03 2 403 43 43 VAL C C 175.84 0.20 1 404 43 43 VAL CA C 59.53 0.20 1 405 43 43 VAL CB C 35.90 0.20 1 406 43 43 VAL CG1 C 20.90 0.20 2 407 43 43 VAL CG2 C 21.80 0.20 2 408 43 43 VAL N N 118.35 0.20 1 409 44 44 ILE H H 7.98 0.03 1 410 44 44 ILE HA H 4.12 0.03 1 411 44 44 ILE HB H 2.17 0.03 1 412 44 44 ILE HG12 H 1.95 0.03 2 413 44 44 ILE HG13 H 0.79 0.03 2 414 44 44 ILE HG2 H 0.66 0.03 1 415 44 44 ILE HD1 H 1.02 0.03 1 416 44 44 ILE C C 176.17 0.20 1 417 44 44 ILE CA C 63.55 0.20 1 418 44 44 ILE CB C 37.85 0.20 1 419 44 44 ILE CG1 C 28.70 0.20 1 420 44 44 ILE CG2 C 19.26 0.20 1 421 44 44 ILE CD1 C 13.94 0.20 1 422 44 44 ILE N N 125.18 0.20 1 423 45 45 ARG H H 9.54 0.03 1 424 45 45 ARG HA H 4.60 0.03 1 425 45 45 ARG HB2 H 1.88 0.03 2 426 45 45 ARG HB3 H 1.76 0.03 2 427 45 45 ARG HG2 H 1.69 0.03 2 428 45 45 ARG HG3 H 1.69 0.03 2 429 45 45 ARG HD2 H 3.20 0.03 2 430 45 45 ARG HD3 H 3.20 0.03 2 431 45 45 ARG C C 176.33 0.20 1 432 45 45 ARG CA C 56.46 0.20 1 433 45 45 ARG CB C 31.74 0.20 1 434 45 45 ARG CG C 26.98 0.20 1 435 45 45 ARG CD C 43.28 0.20 1 436 45 45 ARG N N 129.93 0.20 1 437 46 46 SER H H 7.59 0.03 1 438 46 46 SER HA H 4.46 0.03 1 439 46 46 SER HB2 H 3.82 0.03 2 440 46 46 SER HB3 H 3.82 0.03 2 441 46 46 SER C C 171.62 0.20 1 442 46 46 SER CA C 57.67 0.20 1 443 46 46 SER CB C 64.61 0.20 1 444 46 46 SER N N 110.63 0.20 1 445 47 47 VAL H H 8.65 0.03 1 446 47 47 VAL HA H 4.59 0.03 1 447 47 47 VAL HB H 1.83 0.03 1 448 47 47 VAL HG1 H 0.69 0.03 2 449 47 47 VAL HG2 H 0.60 0.03 2 450 47 47 VAL C C 175.11 0.20 1 451 47 47 VAL CA C 61.58 0.20 1 452 47 47 VAL CB C 34.72 0.20 1 453 47 47 VAL CG1 C 20.78 0.20 2 454 47 47 VAL CG2 C 21.04 0.20 2 455 47 47 VAL N N 122.17 0.20 1 456 48 48 THR H H 8.62 0.03 1 457 48 48 THR HA H 4.44 0.03 1 458 48 48 THR HB H 3.97 0.03 1 459 48 48 THR HG2 H 1.14 0.03 1 460 48 48 THR CA C 60.87 0.20 1 461 48 48 THR CB C 70.46 0.20 1 462 48 48 THR CG2 C 20.90 0.20 1 463 48 48 THR N N 122.62 0.20 1 464 49 49 GLY H H 9.25 0.03 1 465 49 49 GLY HA2 H 3.71 0.03 2 466 49 49 GLY HA3 H 3.85 0.03 2 467 49 49 GLY C C 174.75 0.20 1 468 49 49 GLY CA C 47.30 0.20 1 469 49 49 GLY N N 119.42 0.20 1 470 50 50 GLY H H 8.47 0.03 1 471 50 50 GLY HA2 H 3.86 0.03 2 472 50 50 GLY HA3 H 3.91 0.03 2 473 50 50 GLY CA C 45.20 0.20 1 474 50 50 GLY N N 110.76 0.20 1 475 51 51 MET H H 7.94 0.03 1 476 51 51 MET HA H 4.90 0.03 1 477 51 51 MET HE H 2.01 0.03 1 478 51 51 MET C C 175.66 0.20 1 479 51 51 MET CA C 53.16 0.20 1 480 51 51 MET CB C 31.99 0.20 1 481 51 51 MET CE C 16.10 0.20 1 482 51 51 MET N N 119.20 0.20 1 483 52 52 CYS H H 8.59 0.03 1 484 52 52 CYS HA H 5.06 0.03 1 485 52 52 CYS HB2 H 2.37 0.03 2 486 52 52 CYS HB3 H 2.99 0.03 2 487 52 52 CYS C C 174.02 0.20 1 488 52 52 CYS CA C 57.62 0.20 1 489 52 52 CYS CB C 30.26 0.20 1 490 52 52 CYS N N 122.81 0.20 1 491 53 53 SER H H 8.65 0.03 1 492 53 53 SER HA H 4.88 0.03 1 493 53 53 SER HB2 H 3.72 0.03 2 494 53 53 SER HB3 H 3.72 0.03 2 495 53 53 SER C C 173.95 0.20 1 496 53 53 SER CA C 57.76 0.20 1 497 53 53 SER CB C 62.88 0.20 1 498 53 53 SER N N 120.07 0.20 1 499 54 54 VAL H H 9.39 0.03 1 500 54 54 VAL HA H 4.62 0.03 1 501 54 54 VAL HB H 1.90 0.03 1 502 54 54 VAL HG1 H 0.50 0.03 2 503 54 54 VAL HG2 H 0.75 0.03 2 504 54 54 VAL C C 174.21 0.20 1 505 54 54 VAL CA C 60.94 0.20 1 506 54 54 VAL CB C 34.33 0.20 1 507 54 54 VAL CG1 C 21.39 0.20 2 508 54 54 VAL CG2 C 22.85 0.20 2 509 54 54 VAL N N 129.12 0.20 1 510 55 55 TYR H H 8.95 0.03 1 511 55 55 TYR HA H 4.93 0.03 1 512 55 55 TYR HB2 H 2.78 0.03 2 513 55 55 TYR HB3 H 2.92 0.03 2 514 55 55 TYR HD1 H 6.87 0.03 1 515 55 55 TYR HD2 H 6.87 0.03 1 516 55 55 TYR HE1 H 6.65 0.03 1 517 55 55 TYR HE2 H 6.65 0.03 1 518 55 55 TYR C C 174.85 0.20 1 519 55 55 TYR CA C 56.46 0.20 1 520 55 55 TYR CB C 39.10 0.20 1 521 55 55 TYR CD1 C 132.99 0.20 1 522 55 55 TYR CE1 C 117.76 0.20 1 523 55 55 TYR N N 127.11 0.20 1 524 56 56 LEU H H 8.79 0.03 1 525 56 56 LEU HA H 4.49 0.03 1 526 56 56 LEU HB2 H 1.56 0.03 2 527 56 56 LEU HB3 H 1.56 0.03 2 528 56 56 LEU HG H 1.58 0.03 1 529 56 56 LEU HD1 H 0.77 0.03 2 530 56 56 LEU HD2 H 0.49 0.03 2 531 56 56 LEU C C 176.11 0.20 1 532 56 56 LEU CA C 53.81 0.20 1 533 56 56 LEU CB C 40.75 0.20 1 534 56 56 LEU CG C 26.00 0.20 1 535 56 56 LEU CD1 C 26.80 0.20 2 536 56 56 LEU CD2 C 22.82 0.20 2 537 56 56 LEU N N 131.26 0.20 1 538 57 57 LYS H H 8.01 0.03 1 539 57 57 LYS HA H 3.72 0.03 1 540 57 57 LYS HB2 H 1.81 0.03 2 541 57 57 LYS HB3 H 1.81 0.03 2 542 57 57 LYS HG2 H 1.46 0.03 2 543 57 57 LYS HG3 H 1.46 0.03 2 544 57 57 LYS HD2 H 1.65 0.03 2 545 57 57 LYS HD3 H 1.73 0.03 2 546 57 57 LYS HE2 H 3.00 0.03 2 547 57 57 LYS HE3 H 3.00 0.03 2 548 57 57 LYS C C 178.41 0.20 1 549 57 57 LYS CA C 59.31 0.20 1 550 57 57 LYS CB C 32.62 0.20 1 551 57 57 LYS CG C 24.35 0.20 1 552 57 57 LYS CD C 29.29 0.20 1 553 57 57 LYS CE C 41.98 0.20 1 554 57 57 LYS N N 124.41 0.20 1 555 58 58 ASP H H 8.92 0.03 1 556 58 58 ASP HA H 4.45 0.03 1 557 58 58 ASP HB2 H 2.66 0.03 2 558 58 58 ASP HB3 H 2.66 0.03 2 559 58 58 ASP C C 177.21 0.20 1 560 58 58 ASP CA C 57.09 0.20 1 561 58 58 ASP CB C 40.09 0.20 1 562 58 58 ASP N N 116.99 0.20 1 563 59 59 SER H H 7.25 0.03 1 564 59 59 SER HA H 4.49 0.03 1 565 59 59 SER HB2 H 3.79 0.03 2 566 59 59 SER HB3 H 3.79 0.03 2 567 59 59 SER C C 173.55 0.20 1 568 59 59 SER CA C 58.04 0.20 1 569 59 59 SER CB C 64.24 0.20 1 570 59 59 SER N N 110.09 0.20 1 571 60 60 GLU H H 7.86 0.03 1 572 60 60 GLU HA H 3.78 0.03 1 573 60 60 GLU HB2 H 2.20 0.03 2 574 60 60 GLU HB3 H 2.27 0.03 2 575 60 60 GLU HG2 H 2.26 0.03 2 576 60 60 GLU HG3 H 2.26 0.03 2 577 60 60 GLU C C 174.83 0.20 1 578 60 60 GLU CA C 57.09 0.20 1 579 60 60 GLU CB C 27.11 0.20 1 580 60 60 GLU CG C 36.34 0.20 1 581 60 60 GLU N N 119.11 0.20 1 582 61 61 LYS H H 7.09 0.03 1 583 61 61 LYS HA H 4.67 0.03 1 584 61 61 LYS HB2 H 1.60 0.03 2 585 61 61 LYS HB3 H 1.71 0.03 2 586 61 61 LYS HG2 H 1.28 0.03 2 587 61 61 LYS HG3 H 1.28 0.03 2 588 61 61 LYS HD2 H 1.57 0.03 2 589 61 61 LYS HD3 H 1.57 0.03 2 590 61 61 LYS HE2 H 2.92 0.03 2 591 61 61 LYS HE3 H 2.92 0.03 2 592 61 61 LYS C C 174.13 0.20 1 593 61 61 LYS CA C 54.86 0.20 1 594 61 61 LYS CB C 35.99 0.20 1 595 61 61 LYS CG C 24.16 0.20 1 596 61 61 LYS CD C 29.64 0.20 1 597 61 61 LYS CE C 41.99 0.20 1 598 61 61 LYS N N 116.36 0.20 1 599 62 62 VAL H H 8.40 0.03 1 600 62 62 VAL HA H 5.03 0.03 1 601 62 62 VAL HB H 1.90 0.03 1 602 62 62 VAL HG1 H 0.98 0.03 2 603 62 62 VAL HG2 H 0.76 0.03 2 604 62 62 VAL C C 176.29 0.20 1 605 62 62 VAL CA C 61.11 0.20 1 606 62 62 VAL CB C 32.76 0.20 1 607 62 62 VAL CG1 C 22.51 0.20 2 608 62 62 VAL CG2 C 21.77 0.20 2 609 62 62 VAL N N 121.75 0.20 1 610 63 63 VAL H H 8.96 0.03 1 611 63 63 VAL HA H 4.57 0.03 1 612 63 63 VAL HB H 1.98 0.03 1 613 63 63 VAL HG1 H 0.82 0.03 2 614 63 63 VAL HG2 H 0.91 0.03 2 615 63 63 VAL C C 174.27 0.20 1 616 63 63 VAL CA C 59.62 0.20 1 617 63 63 VAL CB C 35.54 0.20 1 618 63 63 VAL CG1 C 20.18 0.20 2 619 63 63 VAL CG2 C 21.94 0.20 2 620 63 63 VAL N N 124.44 0.20 1 621 64 64 SER H H 8.53 0.03 1 622 64 64 SER HA H 5.36 0.03 1 623 64 64 SER HB2 H 3.73 0.03 2 624 64 64 SER HB3 H 3.79 0.03 2 625 64 64 SER C C 174.10 0.20 1 626 64 64 SER CA C 57.24 0.20 1 627 64 64 SER CB C 63.14 0.20 1 628 64 64 SER N N 120.69 0.20 1 629 65 65 ILE H H 9.31 0.03 1 630 65 65 ILE HA H 4.39 0.03 1 631 65 65 ILE HB H 1.35 0.03 1 632 65 65 ILE HG12 H 1.37 0.03 2 633 65 65 ILE HG13 H 0.88 0.03 2 634 65 65 ILE HG2 H 0.87 0.03 1 635 65 65 ILE HD1 H 0.16 0.03 1 636 65 65 ILE C C 174.11 0.20 1 637 65 65 ILE CA C 60.62 0.20 1 638 65 65 ILE CB C 42.76 0.20 1 639 65 65 ILE CG1 C 27.25 0.20 1 640 65 65 ILE CG2 C 16.80 0.20 1 641 65 65 ILE CD1 C 13.99 0.20 1 642 65 65 ILE N N 127.77 0.20 1 643 66 66 SER H H 9.03 0.03 1 644 66 66 SER HA H 4.89 0.03 1 645 66 66 SER HB2 H 3.93 0.03 2 646 66 66 SER HB3 H 4.10 0.03 2 647 66 66 SER C C 177.07 0.20 1 648 66 66 SER CA C 59.30 0.20 1 649 66 66 SER CB C 63.44 0.20 1 650 66 66 SER N N 123.31 0.20 1 651 67 67 SER H H 8.70 0.03 1 652 67 67 SER HA H 3.80 0.03 1 653 67 67 SER HB2 H 3.66 0.03 2 654 67 67 SER HB3 H 3.66 0.03 2 655 67 67 SER C C 175.73 0.20 1 656 67 67 SER CA C 62.01 0.20 1 657 67 67 SER CB C 63.31 0.20 1 658 67 67 SER N N 121.05 0.20 1 659 68 68 GLU H H 8.67 0.03 1 660 68 68 GLU HA H 4.24 0.03 1 661 68 68 GLU HB2 H 1.70 0.03 2 662 68 68 GLU HB3 H 1.80 0.03 2 663 68 68 GLU C C 177.25 0.20 1 664 68 68 GLU CA C 58.48 0.20 1 665 68 68 GLU CB C 28.82 0.20 1 666 68 68 GLU N N 121.30 0.20 1 667 69 69 HIS H H 7.88 0.03 1 668 69 69 HIS HA H 4.86 0.03 1 669 69 69 HIS HB2 H 3.49 0.03 2 670 69 69 HIS HB3 H 2.89 0.03 2 671 69 69 HIS HD2 H 7.28 0.03 1 672 69 69 HIS HE1 H 7.71 0.03 1 673 69 69 HIS C C 173.15 0.20 1 674 69 69 HIS CA C 55.48 0.20 1 675 69 69 HIS CB C 31.38 0.20 1 676 69 69 HIS N N 116.92 0.20 1 677 70 70 LEU H H 7.79 0.03 1 678 70 70 LEU HA H 5.49 0.03 1 679 70 70 LEU HB2 H 2.11 0.03 2 680 70 70 LEU HB3 H 1.34 0.03 2 681 70 70 LEU HG H 0.78 0.03 1 682 70 70 LEU C C 175.11 0.20 1 683 70 70 LEU CA C 53.08 0.20 1 684 70 70 LEU CB C 46.95 0.20 1 685 70 70 LEU CG C 26.39 0.20 1 686 70 70 LEU CD1 C 23.44 0.20 2 687 70 70 LEU CD2 C 23.44 0.20 2 688 70 70 LEU N N 119.38 0.20 1 689 71 71 GLU H H 8.46 0.03 1 690 71 71 GLU HA H 4.68 0.03 1 691 71 71 GLU CA C 52.60 0.20 1 692 71 71 GLU N N 116.97 0.20 1 693 72 72 PRO HA H 4.60 0.03 1 694 72 72 PRO HB2 H 1.86 0.03 2 695 72 72 PRO HB3 H 1.86 0.03 2 696 72 72 PRO HG2 H 1.61 0.03 2 697 72 72 PRO HG3 H 1.61 0.03 2 698 72 72 PRO HD2 H 1.62 0.03 2 699 72 72 PRO HD3 H 3.07 0.03 2 700 72 72 PRO C C 177.12 0.20 1 701 72 72 PRO CA C 62.59 0.20 1 702 72 72 PRO CB C 30.94 0.20 1 703 72 72 PRO CG C 26.62 0.20 1 704 72 72 PRO CD C 49.41 0.20 1 705 73 73 ILE H H 7.63 0.03 1 706 73 73 ILE HA H 4.04 0.03 1 707 73 73 ILE HB H 1.57 0.03 1 708 73 73 ILE HG12 H 1.99 0.03 2 709 73 73 ILE HG13 H 2.08 0.03 2 710 73 73 ILE HG2 H 0.87 0.03 1 711 73 73 ILE HD1 H 0.82 0.03 1 712 73 73 ILE C C 176.47 0.20 1 713 73 73 ILE CA C 60.29 0.20 1 714 73 73 ILE CB C 38.19 0.20 1 715 73 73 ILE CG1 C 27.49 0.20 1 716 73 73 ILE CG2 C 17.58 0.20 1 717 73 73 ILE CD1 C 12.20 0.20 1 718 73 73 ILE N N 123.95 0.20 1 719 74 74 THR H H 8.61 0.03 1 720 74 74 THR HA H 4.55 0.03 1 721 74 74 THR HB H 3.89 0.03 1 722 74 74 THR HG2 H 1.37 0.03 1 723 74 74 THR CA C 61.15 0.20 1 724 74 74 THR CB C 69.78 0.20 1 725 74 74 THR CG2 C 21.70 0.20 1 726 74 74 THR N N 126.51 0.20 1 727 75 75 PRO HA H 4.54 0.03 1 728 75 75 PRO HB2 H 1.87 0.03 2 729 75 75 PRO HB3 H 1.94 0.03 2 730 75 75 PRO HG2 H 1.69 0.03 2 731 75 75 PRO HG3 H 1.75 0.03 2 732 75 75 PRO HD2 H 3.83 0.03 2 733 75 75 PRO HD3 H 3.89 0.03 2 734 75 75 PRO C C 173.65 0.20 1 735 75 75 PRO CA C 62.50 0.20 1 736 75 75 PRO CB C 33.86 0.20 1 737 75 75 PRO CG C 27.40 0.20 1 738 75 75 PRO CD C 51.00 0.20 1 739 76 76 THR H H 8.21 0.03 1 740 76 76 THR HA H 4.34 0.03 1 741 76 76 THR HB H 4.25 0.03 1 742 76 76 THR HG2 H 1.15 0.03 1 743 76 76 THR C C 173.60 0.20 1 744 76 76 THR CA C 59.30 0.20 1 745 76 76 THR CB C 71.19 0.20 1 746 76 76 THR CG2 C 21.14 0.20 1 747 76 76 THR N N 109.19 0.20 1 748 77 77 LYS H H 8.09 0.03 1 749 77 77 LYS HA H 3.40 0.03 1 750 77 77 LYS HB2 H 1.68 0.03 2 751 77 77 LYS HB3 H 1.68 0.03 2 752 77 77 LYS HG2 H 1.43 0.03 2 753 77 77 LYS HG3 H 1.30 0.03 2 754 77 77 LYS HD2 H 1.75 0.03 2 755 77 77 LYS HD3 H 1.75 0.03 2 756 77 77 LYS HE2 H 3.02 0.03 2 757 77 77 LYS HE3 H 3.02 0.03 2 758 77 77 LYS C C 175.92 0.20 1 759 77 77 LYS CA C 59.60 0.20 1 760 77 77 LYS CB C 32.95 0.20 1 761 77 77 LYS CG C 24.68 0.20 1 762 77 77 LYS CD C 30.12 0.20 1 763 77 77 LYS CE C 42.30 0.20 1 764 77 77 LYS N N 120.06 0.20 1 765 78 78 ASN H H 9.17 0.03 1 766 78 78 ASN HA H 4.26 0.03 1 767 78 78 ASN HB2 H 3.02 0.03 2 768 78 78 ASN HB3 H 3.38 0.03 2 769 78 78 ASN C C 175.08 0.20 1 770 78 78 ASN CA C 55.86 0.20 1 771 78 78 ASN CB C 37.16 0.20 1 772 78 78 ASN N N 117.05 0.20 1 773 79 79 ASN H H 8.21 0.03 1 774 79 79 ASN HA H 4.79 0.03 1 775 79 79 ASN HB2 H 2.91 0.03 2 776 79 79 ASN HB3 H 2.91 0.03 2 777 79 79 ASN HD21 H 7.26 0.03 1 778 79 79 ASN HD22 H 6.87 0.03 1 779 79 79 ASN C C 175.28 0.20 1 780 79 79 ASN CA C 53.47 0.20 1 781 79 79 ASN CB C 39.99 0.20 1 782 79 79 ASN N N 116.75 0.20 1 783 79 79 ASN ND2 N 110.85 0.20 1 784 80 80 LYS H H 8.63 0.03 1 785 80 80 LYS HA H 4.87 0.03 1 786 80 80 LYS HB2 H 1.82 0.03 2 787 80 80 LYS HB3 H 1.94 0.03 2 788 80 80 LYS HG2 H 1.77 0.03 2 789 80 80 LYS HG3 H 1.50 0.03 2 790 80 80 LYS HD2 H 1.81 0.03 2 791 80 80 LYS HD3 H 1.81 0.03 2 792 80 80 LYS HE2 H 3.02 0.03 2 793 80 80 LYS HE3 H 3.02 0.03 2 794 80 80 LYS C C 176.70 0.20 1 795 80 80 LYS CA C 57.10 0.20 1 796 80 80 LYS CB C 32.82 0.20 1 797 80 80 LYS CG C 25.61 0.20 1 798 80 80 LYS CD C 29.18 0.20 1 799 80 80 LYS CE C 41.63 0.20 1 800 80 80 LYS N N 121.64 0.20 1 801 81 81 VAL H H 8.90 0.03 1 802 81 81 VAL HA H 5.54 0.03 1 803 81 81 VAL HB H 2.22 0.03 1 804 81 81 VAL HG1 H 0.88 0.03 2 805 81 81 VAL HG2 H 0.55 0.03 2 806 81 81 VAL C C 173.30 0.20 1 807 81 81 VAL CA C 58.27 0.20 1 808 81 81 VAL CB C 36.56 0.20 1 809 81 81 VAL CG1 C 23.48 0.20 2 810 81 81 VAL CG2 C 18.39 0.20 2 811 81 81 VAL N N 115.30 0.20 1 812 82 82 LYS H H 8.45 0.03 1 813 82 82 LYS HA H 5.02 0.03 1 814 82 82 LYS HB2 H 1.42 0.03 2 815 82 82 LYS HB3 H 1.42 0.03 2 816 82 82 LYS HE2 H 2.92 0.03 2 817 82 82 LYS HE3 H 2.92 0.03 2 818 82 82 LYS C C 174.90 0.20 1 819 82 82 LYS CA C 53.64 0.20 1 820 82 82 LYS CB C 38.06 0.20 1 821 82 82 LYS CE C 42.40 0.20 1 822 82 82 LYS N N 120.83 0.20 1 823 83 83 VAL H H 9.22 0.03 1 824 83 83 VAL HA H 4.28 0.03 1 825 83 83 VAL HB H 2.28 0.03 1 826 83 83 VAL HG1 H 1.06 0.03 2 827 83 83 VAL HG2 H 0.79 0.03 2 828 83 83 VAL C C 177.70 0.20 1 829 83 83 VAL CA C 63.92 0.20 1 830 83 83 VAL CB C 30.70 0.20 1 831 83 83 VAL CG1 C 22.50 0.20 2 832 83 83 VAL CG2 C 21.31 0.20 2 833 83 83 VAL N N 128.21 0.20 1 834 84 84 ILE H H 9.07 0.03 1 835 84 84 ILE HA H 4.70 0.03 1 836 84 84 ILE HB H 2.99 0.03 1 837 84 84 ILE HG12 H 0.86 0.03 2 838 84 84 ILE HG13 H 1.35 0.03 2 839 84 84 ILE HG2 H 0.97 0.03 1 840 84 84 ILE HD1 H 0.86 0.03 1 841 84 84 ILE C C 175.05 0.20 1 842 84 84 ILE CA C 61.98 0.20 1 843 84 84 ILE CB C 38.14 0.20 1 844 84 84 ILE CG1 C 25.09 0.20 1 845 84 84 ILE CG2 C 18.52 0.20 1 846 84 84 ILE CD1 C 13.29 0.20 1 847 84 84 ILE N N 121.94 0.20 1 848 85 85 LEU H H 7.28 0.03 1 849 85 85 LEU HA H 4.59 0.03 1 850 85 85 LEU HB2 H 0.86 0.03 2 851 85 85 LEU HB3 H 1.01 0.03 2 852 85 85 LEU HG H 0.83 0.03 1 853 85 85 LEU HD1 H 0.88 0.03 2 854 85 85 LEU HD2 H 0.88 0.03 2 855 85 85 LEU C C 175.25 0.20 1 856 85 85 LEU CA C 53.58 0.20 1 857 85 85 LEU CB C 48.78 0.20 1 858 85 85 LEU CG C 25.51 0.20 1 859 85 85 LEU CD1 C 23.56 0.20 2 860 85 85 LEU CD2 C 23.56 0.20 2 861 85 85 LEU N N 121.41 0.20 1 862 86 86 GLY H H 8.25 0.03 1 863 86 86 GLY HA2 H 3.64 0.03 2 864 86 86 GLY HA3 H 4.11 0.03 2 865 86 86 GLY C C 175.37 0.20 1 866 86 86 GLY CA C 44.45 0.20 1 867 86 86 GLY N N 105.00 0.20 1 868 87 87 GLU H H 8.58 0.03 1 869 87 87 GLU HA H 4.01 0.03 1 870 87 87 GLU HB2 H 2.01 0.03 2 871 87 87 GLU HB3 H 2.01 0.03 2 872 87 87 GLU C C 177.43 0.20 1 873 87 87 GLU CA C 58.77 0.20 1 874 87 87 GLU CB C 29.79 0.20 1 875 87 87 GLU N N 119.62 0.20 1 876 88 88 ASP H H 9.07 0.03 1 877 88 88 ASP HA H 4.78 0.03 1 878 88 88 ASP HB2 H 2.65 0.03 2 879 88 88 ASP HB3 H 2.92 0.03 2 880 88 88 ASP C C 174.04 0.20 1 881 88 88 ASP CA C 54.43 0.20 1 882 88 88 ASP CB C 40.58 0.20 1 883 88 88 ASP N N 118.18 0.20 1 884 89 89 ARG H H 7.12 0.03 1 885 89 89 ARG HA H 3.40 0.03 1 886 89 89 ARG HB2 H 1.62 0.03 2 887 89 89 ARG HB3 H 1.62 0.03 2 888 89 89 ARG HG2 H 1.49 0.03 2 889 89 89 ARG HG3 H 1.49 0.03 2 890 89 89 ARG HD2 H 3.13 0.03 2 891 89 89 ARG HD3 H 3.26 0.03 2 892 89 89 ARG C C 176.62 0.20 1 893 89 89 ARG CA C 58.74 0.20 1 894 89 89 ARG CB C 30.21 0.20 1 895 89 89 ARG CG C 27.64 0.20 1 896 89 89 ARG CD C 43.56 0.20 1 897 89 89 ARG N N 118.25 0.20 1 898 90 90 GLU H H 9.16 0.03 1 899 90 90 GLU HA H 3.55 0.03 1 900 90 90 GLU HB2 H 2.26 0.03 2 901 90 90 GLU HB3 H 2.71 0.03 2 902 90 90 GLU HG2 H 2.11 0.03 2 903 90 90 GLU HG3 H 2.36 0.03 2 904 90 90 GLU C C 174.91 0.20 1 905 90 90 GLU CA C 60.35 0.20 1 906 90 90 GLU CB C 27.90 0.20 1 907 90 90 GLU CG C 37.62 0.20 1 908 90 90 GLU N N 116.79 0.20 1 909 91 91 ALA H H 8.34 0.03 1 910 91 91 ALA HA H 4.53 0.03 1 911 91 91 ALA HB H 1.51 0.03 1 912 91 91 ALA C C 177.62 0.20 1 913 91 91 ALA CA C 52.88 0.20 1 914 91 91 ALA CB C 20.02 0.20 1 915 91 91 ALA N N 123.06 0.20 1 916 92 92 THR H H 7.89 0.03 1 917 92 92 THR HA H 5.55 0.03 1 918 92 92 THR HB H 4.55 0.03 1 919 92 92 THR HG2 H 1.21 0.03 1 920 92 92 THR C C 176.10 0.20 1 921 92 92 THR CA C 59.60 0.20 1 922 92 92 THR CB C 71.74 0.20 1 923 92 92 THR CG2 C 21.10 0.20 1 924 92 92 THR N N 106.95 0.20 1 925 93 93 GLY H H 8.77 0.03 1 926 93 93 GLY HA2 H 4.10 0.03 2 927 93 93 GLY HA3 H 4.48 0.03 2 928 93 93 GLY CA C 46.77 0.20 1 929 93 93 GLY N N 109.15 0.20 1 930 94 94 VAL H H 8.58 0.03 1 931 94 94 VAL HA H 4.78 0.03 1 932 94 94 VAL HB H 1.86 0.03 1 933 94 94 VAL HG1 H 0.81 0.03 2 934 94 94 VAL C C 174.03 0.20 1 935 94 94 VAL CA C 61.28 0.20 1 936 94 94 VAL CB C 35.74 0.20 1 937 94 94 VAL CG1 C 20.58 0.20 2 938 94 94 VAL CG2 C 22.44 0.20 2 939 94 94 VAL N N 122.40 0.20 1 940 95 95 LEU H H 8.50 0.03 1 941 95 95 LEU HA H 4.44 0.03 1 942 95 95 LEU HB2 H 2.15 0.03 2 943 95 95 LEU HB3 H 1.11 0.03 2 944 95 95 LEU HG H 1.53 0.03 1 945 95 95 LEU HD1 H 0.75 0.03 2 946 95 95 LEU HD2 H 0.52 0.03 2 947 95 95 LEU C C 174.43 0.20 1 948 95 95 LEU CA C 54.49 0.20 1 949 95 95 LEU CB C 42.43 0.20 1 950 95 95 LEU CG C 27.56 0.20 1 951 95 95 LEU CD1 C 24.50 0.20 2 952 95 95 LEU CD2 C 26.23 0.20 2 953 95 95 LEU N N 128.91 0.20 1 954 96 96 LEU H H 9.38 0.03 1 955 96 96 LEU HA H 4.40 0.03 1 956 96 96 LEU HB2 H 1.49 0.03 2 957 96 96 LEU HB3 H 1.66 0.03 2 958 96 96 LEU HD2 H 0.80 0.03 2 959 96 96 LEU C C 177.97 0.20 1 960 96 96 LEU CA C 56.44 0.20 1 961 96 96 LEU CB C 43.41 0.20 1 962 96 96 LEU CG C 26.50 0.20 1 963 96 96 LEU CD1 C 22.40 0.20 2 964 96 96 LEU CD2 C 22.18 0.20 2 965 96 96 LEU N N 129.57 0.20 1 966 97 97 SER H H 7.46 0.03 1 967 97 97 SER HA H 4.41 0.03 1 968 97 97 SER HB2 H 3.71 0.03 2 969 97 97 SER HB3 H 3.71 0.03 2 970 97 97 SER C C 171.41 0.20 1 971 97 97 SER CA C 57.53 0.20 1 972 97 97 SER CB C 64.26 0.20 1 973 97 97 SER N N 108.22 0.20 1 974 98 98 ILE H H 8.49 0.03 1 975 98 98 ILE HA H 4.61 0.03 1 976 98 98 ILE HB H 1.62 0.03 1 977 98 98 ILE HG12 H 1.59 0.03 2 978 98 98 ILE HG13 H 1.59 0.03 2 979 98 98 ILE HG2 H 0.84 0.03 1 980 98 98 ILE HD1 H 0.86 0.03 1 981 98 98 ILE C C 174.83 0.20 1 982 98 98 ILE CA C 61.05 0.20 1 983 98 98 ILE CB C 41.43 0.20 1 984 98 98 ILE CG1 C 28.95 0.20 1 985 98 98 ILE CG2 C 18.49 0.20 1 986 98 98 ILE CD1 C 14.57 0.20 1 987 98 98 ILE N N 122.40 0.20 1 988 99 99 ASP H H 8.98 0.03 1 989 99 99 ASP HA H 4.81 0.03 1 990 99 99 ASP HB2 H 2.40 0.03 2 991 99 99 ASP HB3 H 2.70 0.03 2 992 99 99 ASP C C 175.85 0.20 1 993 99 99 ASP CA C 52.80 0.20 1 994 99 99 ASP CB C 41.95 0.20 1 995 99 99 ASP N N 128.91 0.20 1 996 100 100 GLY H H 8.80 0.03 1 997 100 100 GLY HA2 H 3.55 0.03 2 998 100 100 GLY HA3 H 4.00 0.03 2 999 100 100 GLY C C 174.17 0.20 1 1000 100 100 GLY CA C 47.36 0.20 1 1001 100 100 GLY N N 115.30 0.20 1 1002 101 101 GLU H H 8.82 0.03 1 1003 101 101 GLU CA C 56.10 0.20 1 1004 101 101 GLU CB C 30.51 0.20 1 1005 101 101 GLU N N 126.04 0.20 1 1006 102 102 ASP H H 7.92 0.03 1 1007 102 102 ASP HA H 5.04 0.03 1 1008 102 102 ASP HB2 H 2.28 0.03 2 1009 102 102 ASP HB3 H 2.67 0.03 2 1010 102 102 ASP CA C 53.90 0.20 1 1011 102 102 ASP N N 119.12 0.20 1 1012 103 103 GLY H H 9.33 0.03 1 1013 103 103 GLY HA2 H 4.82 0.03 2 1014 103 103 GLY HA3 H 3.06 0.03 2 1015 103 103 GLY C C 170.90 0.20 1 1016 103 103 GLY CA C 44.70 0.20 1 1017 103 103 GLY N N 108.38 0.20 1 1018 104 104 ILE H H 8.33 0.03 1 1019 104 104 ILE HA H 4.55 0.03 1 1020 104 104 ILE HB H 1.81 0.03 1 1021 104 104 ILE HG12 H 1.38 0.03 2 1022 104 104 ILE HG13 H 1.38 0.03 2 1023 104 104 ILE HG2 H 0.74 0.03 1 1024 104 104 ILE HD1 H 0.73 0.03 1 1025 104 104 ILE C C 174.63 0.20 1 1026 104 104 ILE CA C 61.12 0.20 1 1027 104 104 ILE CB C 37.17 0.20 1 1028 104 104 ILE CG1 C 28.45 0.20 1 1029 104 104 ILE CG2 C 18.90 0.20 1 1030 104 104 ILE CD1 C 13.22 0.20 1 1031 104 104 ILE N N 123.00 0.20 1 1032 105 105 VAL H H 9.26 0.03 1 1033 105 105 VAL HA H 4.75 0.03 1 1034 105 105 VAL HB H 1.91 0.03 1 1035 105 105 VAL HG1 H 0.56 0.03 2 1036 105 105 VAL HG2 H 0.78 0.03 2 1037 105 105 VAL C C 174.84 0.20 1 1038 105 105 VAL CA C 59.85 0.20 1 1039 105 105 VAL CB C 34.76 0.20 1 1040 105 105 VAL CG1 C 22.73 0.20 2 1041 105 105 VAL CG2 C 23.30 0.20 2 1042 105 105 VAL N N 128.55 0.20 1 1043 106 106 ARG H H 8.78 0.03 1 1044 106 106 ARG HA H 4.77 0.03 1 1045 106 106 ARG HB2 H 1.79 0.03 2 1046 106 106 ARG HB3 H 1.79 0.03 2 1047 106 106 ARG HG2 H 1.63 0.03 2 1048 106 106 ARG HG3 H 1.63 0.03 2 1049 106 106 ARG HD2 H 3.17 0.03 2 1050 106 106 ARG HD3 H 3.17 0.03 2 1051 106 106 ARG C C 176.98 0.20 1 1052 106 106 ARG CA C 54.49 0.20 1 1053 106 106 ARG CB C 31.10 0.20 1 1054 106 106 ARG CG C 26.95 0.20 1 1055 106 106 ARG CD C 43.54 0.20 1 1056 106 106 ARG N N 125.59 0.20 1 1057 107 107 MET H H 9.34 0.03 1 1058 107 107 MET HA H 4.75 0.03 1 1059 107 107 MET HB2 H 2.44 0.03 2 1060 107 107 MET HB3 H 2.44 0.03 2 1061 107 107 MET HG2 H 2.63 0.03 2 1062 107 107 MET HG3 H 2.79 0.03 2 1063 107 107 MET HE H 1.81 0.03 1 1064 107 107 MET C C 177.18 0.20 1 1065 107 107 MET CA C 54.61 0.20 1 1066 107 107 MET CB C 30.07 0.20 1 1067 107 107 MET CG C 32.21 0.20 1 1068 107 107 MET CE C 16.20 0.20 1 1069 107 107 MET N N 130.56 0.20 1 1070 108 108 ASP H H 8.95 0.03 1 1071 108 108 ASP HA H 4.41 0.03 1 1072 108 108 ASP HB2 H 2.42 0.03 2 1073 108 108 ASP HB3 H 2.68 0.03 2 1074 108 108 ASP C C 178.64 0.20 1 1075 108 108 ASP CA C 57.11 0.20 1 1076 108 108 ASP CB C 40.98 0.20 1 1077 108 108 ASP N N 123.22 0.20 1 1078 109 109 LEU H H 8.62 0.03 1 1079 109 109 LEU HA H 4.11 0.03 1 1080 109 109 LEU HB2 H 1.54 0.03 2 1081 109 109 LEU HB3 H 1.71 0.03 2 1082 109 109 LEU HG H 1.54 0.03 1 1083 109 109 LEU HD1 H 0.97 0.03 2 1084 109 109 LEU HD2 H 0.93 0.03 2 1085 109 109 LEU C C 178.00 0.20 1 1086 109 109 LEU CA C 58.17 0.20 1 1087 109 109 LEU CB C 42.41 0.20 1 1088 109 109 LEU CG C 27.41 0.20 1 1089 109 109 LEU CD1 C 23.80 0.20 2 1090 109 109 LEU CD2 C 24.90 0.20 2 1091 109 109 LEU N N 118.21 0.20 1 1092 110 110 ASP H H 7.42 0.03 1 1093 110 110 ASP HA H 4.69 0.03 1 1094 110 110 ASP HB2 H 2.49 0.03 2 1095 110 110 ASP HB3 H 3.02 0.03 2 1096 110 110 ASP C C 176.15 0.20 1 1097 110 110 ASP CA C 52.85 0.20 1 1098 110 110 ASP CB C 41.40 0.20 1 1099 110 110 ASP N N 113.37 0.20 1 1100 111 111 GLU H H 7.98 0.03 1 1101 111 111 GLU HA H 4.06 0.03 1 1102 111 111 GLU HB2 H 2.64 0.03 2 1103 111 111 GLU HB3 H 2.92 0.03 2 1104 111 111 GLU HG2 H 2.20 0.03 2 1105 111 111 GLU HG3 H 2.20 0.03 2 1106 111 111 GLU C C 175.30 0.20 1 1107 111 111 GLU CA C 58.15 0.20 1 1108 111 111 GLU CB C 27.58 0.20 1 1109 111 111 GLU CG C 36.85 0.20 1 1110 111 111 GLU N N 113.81 0.20 1 1111 112 112 GLN H H 7.73 0.03 1 1112 112 112 GLN HA H 4.22 0.03 1 1113 112 112 GLN HB2 H 2.24 0.03 2 1114 112 112 GLN HB3 H 2.24 0.03 2 1115 112 112 GLN HG2 H 2.22 0.03 2 1116 112 112 GLN HG3 H 2.22 0.03 2 1117 112 112 GLN C C 175.55 0.20 1 1118 112 112 GLN CA C 56.11 0.20 1 1119 112 112 GLN CB C 30.33 0.20 1 1120 112 112 GLN CG C 36.74 0.20 1 1121 112 112 GLN N N 118.10 0.20 1 1122 113 113 LEU H H 8.52 0.03 1 1123 113 113 LEU HA H 5.19 0.03 1 1124 113 113 LEU HB2 H 1.10 0.03 2 1125 113 113 LEU HB3 H 1.73 0.03 2 1126 113 113 LEU HG H 1.66 0.03 1 1127 113 113 LEU HD1 H 0.70 0.03 2 1128 113 113 LEU HD2 H 0.82 0.03 2 1129 113 113 LEU C C 177.29 0.20 1 1130 113 113 LEU CA C 54.02 0.20 1 1131 113 113 LEU CB C 42.79 0.20 1 1132 113 113 LEU CG C 27.10 0.20 1 1133 113 113 LEU CD1 C 23.80 0.20 2 1134 113 113 LEU CD2 C 25.10 0.20 2 1135 113 113 LEU N N 122.57 0.20 1 1136 114 114 LYS H H 9.22 0.03 1 1137 114 114 LYS HA H 4.59 0.03 1 1138 114 114 LYS HB2 H 1.58 0.03 2 1139 114 114 LYS HB3 H 1.58 0.03 2 1140 114 114 LYS HG2 H 0.91 0.03 2 1141 114 114 LYS HG3 H 0.91 0.03 2 1142 114 114 LYS HD2 H 1.60 0.03 2 1143 114 114 LYS HD3 H 1.60 0.03 2 1144 114 114 LYS HE2 H 3.14 0.03 2 1145 114 114 LYS HE3 H 3.14 0.03 2 1146 114 114 LYS C C 174.08 0.20 1 1147 114 114 LYS CA C 55.03 0.20 1 1148 114 114 LYS CB C 36.78 0.20 1 1149 114 114 LYS CG C 25.65 0.20 1 1150 114 114 LYS CD C 29.18 0.20 1 1151 114 114 LYS CE C 43.76 0.20 1 1152 114 114 LYS N N 123.90 0.20 1 1153 115 115 ILE H H 8.33 0.03 1 1154 115 115 ILE HA H 4.92 0.03 1 1155 115 115 ILE HB H 1.66 0.03 1 1156 115 115 ILE HG12 H 0.92 0.03 2 1157 115 115 ILE HG13 H 1.52 0.03 2 1158 115 115 ILE HG2 H 0.74 0.03 1 1159 115 115 ILE HD1 H 0.81 0.03 1 1160 115 115 ILE C C 176.13 0.20 1 1161 115 115 ILE CA C 60.58 0.20 1 1162 115 115 ILE CB C 38.16 0.20 1 1163 115 115 ILE CG1 C 28.00 0.20 1 1164 115 115 ILE CG2 C 17.51 0.20 1 1165 115 115 ILE CD1 C 13.56 0.20 1 1166 115 115 ILE N N 122.58 0.20 1 1167 116 116 LEU H H 9.02 0.03 1 1168 116 116 LEU HA H 4.79 0.03 1 1169 116 116 LEU HB2 H 1.46 0.03 2 1170 116 116 LEU HB3 H 1.46 0.03 2 1171 116 116 LEU HG H 1.54 0.03 1 1172 116 116 LEU HD1 H 0.84 0.03 2 1173 116 116 LEU HD2 H 1.02 0.03 2 1174 116 116 LEU C C 174.94 0.20 1 1175 116 116 LEU CA C 53.15 0.20 1 1176 116 116 LEU CB C 46.87 0.20 1 1177 116 116 LEU CG C 27.80 0.20 1 1178 116 116 LEU CD1 C 26.40 0.20 2 1179 116 116 LEU CD2 C 25.38 0.20 2 1180 116 116 LEU N N 129.60 0.20 1 1181 117 117 ASN H H 8.22 0.03 1 1182 117 117 ASN HA H 4.78 0.03 1 1183 117 117 ASN HB2 H 1.75 0.03 2 1184 117 117 ASN HB3 H 2.29 0.03 2 1185 117 117 ASN C C 177.00 0.20 1 1186 117 117 ASN CA C 54.39 0.20 1 1187 117 117 ASN CB C 39.30 0.20 1 1188 117 117 ASN N N 121.77 0.20 1 1189 118 118 LEU H H 8.95 0.03 1 1190 118 118 LEU HA H 3.77 0.03 1 1191 118 118 LEU HB2 H 1.50 0.03 2 1192 118 118 LEU HB3 H 1.50 0.03 2 1193 118 118 LEU HG H 1.54 0.03 1 1194 118 118 LEU HD1 H 0.75 0.03 2 1195 118 118 LEU HD2 H 0.75 0.03 2 1196 118 118 LEU C C 179.34 0.20 1 1197 118 118 LEU CA C 58.20 0.20 1 1198 118 118 LEU CB C 42.61 0.20 1 1199 118 118 LEU CG C 27.58 0.20 1 1200 118 118 LEU CD1 C 24.90 0.20 2 1201 118 118 LEU CD2 C 24.90 0.20 2 1202 118 118 LEU N N 126.72 0.20 1 1203 119 119 ARG H H 8.57 0.03 1 1204 119 119 ARG HA H 4.22 0.03 1 1205 119 119 ARG HB2 H 1.78 0.03 2 1206 119 119 ARG HB3 H 1.78 0.03 2 1207 119 119 ARG HG2 H 1.58 0.03 2 1208 119 119 ARG HG3 H 1.58 0.03 2 1209 119 119 ARG HD2 H 3.14 0.03 2 1210 119 119 ARG HD3 H 3.14 0.03 2 1211 119 119 ARG C C 176.25 0.20 1 1212 119 119 ARG CA C 57.38 0.20 1 1213 119 119 ARG CB C 29.21 0.20 1 1214 119 119 ARG CG C 27.33 0.20 1 1215 119 119 ARG CD C 43.54 0.20 1 1216 119 119 ARG N N 115.31 0.20 1 1217 120 120 PHE H H 8.24 0.03 1 1218 120 120 PHE HA H 4.75 0.03 1 1219 120 120 PHE HB2 H 3.47 0.03 2 1220 120 120 PHE HB3 H 3.84 0.03 2 1221 120 120 PHE HD1 H 7.12 0.03 1 1222 120 120 PHE HD2 H 7.12 0.03 1 1223 120 120 PHE HE1 H 7.32 0.03 1 1224 120 120 PHE HE2 H 7.32 0.03 1 1225 120 120 PHE HZ H 7.26 0.03 1 1226 120 120 PHE C C 175.30 0.20 1 1227 120 120 PHE CA C 55.01 0.20 1 1228 120 120 PHE CB C 36.88 0.20 1 1229 120 120 PHE CD1 C 130.64 0.20 1 1230 120 120 PHE CE1 C 131.11 0.20 1 1231 120 120 PHE CZ C 129.31 0.20 1 1232 120 120 PHE N N 116.21 0.20 1 1233 121 121 LEU H H 7.73 0.03 1 1234 121 121 LEU HA H 5.00 0.03 1 1235 121 121 LEU HB2 H 1.07 0.03 2 1236 121 121 LEU HB3 H 2.09 0.03 2 1237 121 121 LEU HD1 H 0.79 0.03 2 1238 121 121 LEU HD2 H 0.78 0.03 2 1239 121 121 LEU C C 174.17 0.20 1 1240 121 121 LEU CA C 53.73 0.20 1 1241 121 121 LEU CB C 45.60 0.20 1 1242 121 121 LEU CD1 C 23.80 0.20 2 1243 121 121 LEU CD2 C 26.80 0.20 2 1244 121 121 LEU N N 119.44 0.20 1 1245 122 122 GLY H H 9.36 0.03 1 1246 122 122 GLY HA2 H 4.83 0.03 2 1247 122 122 GLY HA3 H 3.34 0.03 2 1248 122 122 GLY C C 172.47 0.20 1 1249 122 122 GLY CA C 42.72 0.20 1 1250 122 122 GLY N N 108.35 0.20 1 1251 123 123 LYS H H 10.48 0.03 1 1252 123 123 LYS HA H 4.41 0.03 1 1253 123 123 LYS HB2 H 1.53 0.03 2 1254 123 123 LYS HB3 H 1.53 0.03 2 1255 123 123 LYS C C 175.58 0.20 1 1256 123 123 LYS CA C 56.39 0.20 1 1257 123 123 LYS CB C 36.00 0.20 1 1258 123 123 LYS CD C 27.15 0.20 1 1259 123 123 LYS N N 125.38 0.20 1 1260 124 124 LEU H H 8.17 0.03 1 1261 124 124 LEU HA H 4.80 0.03 1 1262 124 124 LEU HB2 H 1.40 0.03 2 1263 124 124 LEU HB3 H 1.57 0.03 2 1264 124 124 LEU C C 177.36 0.20 1 1265 124 124 LEU CA C 54.84 0.20 1 1266 124 124 LEU CB C 43.48 0.20 1 1267 124 124 LEU CG C 29.30 0.20 1 1268 124 124 LEU CD1 C 25.86 0.20 2 1269 124 124 LEU CD2 C 25.86 0.20 2 1270 124 124 LEU N N 127.32 0.20 1 1271 125 125 LEU H H 8.33 0.03 1 1272 125 125 LEU HA H 4.39 0.03 1 1273 125 125 LEU HB2 H 1.50 0.03 2 1274 125 125 LEU HB3 H 1.73 0.03 2 1275 125 125 LEU HG H 1.60 0.03 1 1276 125 125 LEU HD1 H 0.91 0.03 2 1277 125 125 LEU HD2 H 0.91 0.03 2 1278 125 125 LEU C C 175.94 0.20 1 1279 125 125 LEU CA C 55.36 0.20 1 1280 125 125 LEU CB C 43.70 0.20 1 1281 125 125 LEU CG C 27.33 0.20 1 1282 125 125 LEU CD1 C 24.77 0.20 2 1283 125 125 LEU CD2 C 24.77 0.20 2 1284 125 125 LEU N N 122.76 0.20 1 1285 126 126 GLU H H 8.58 0.03 1 1286 126 126 GLU HA H 4.27 0.03 1 1287 126 126 GLU HB2 H 1.96 0.03 2 1288 126 126 GLU HB3 H 2.12 0.03 2 1289 126 126 GLU HG2 H 2.29 0.03 2 1290 126 126 GLU HG3 H 2.29 0.03 2 1291 126 126 GLU C C 175.14 0.20 1 1292 126 126 GLU CA C 56.74 0.20 1 1293 126 126 GLU CB C 30.70 0.20 1 1294 126 126 GLU CG C 36.78 0.20 1 1295 126 126 GLU N N 123.66 0.20 1 1296 127 127 ALA H H 7.94 0.03 1 1297 127 127 ALA HA H 4.13 0.03 1 1298 127 127 ALA HB H 1.32 0.03 1 1299 127 127 ALA CA C 53.80 0.20 1 1300 127 127 ALA CB C 20.48 0.20 1 1301 127 127 ALA N N 129.85 0.20 1 stop_ save_